SCHEMBL4115663

SCHEMBL4115663

CN(C)S(=O)(=O)c1cccc(Nc2cc(-c3ccc(N)nc3)nc(N3CCOCC3)n2)c1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.62
PIK3CG P48736 2/20 0.53
PIK3CD O00329 2/20 0.52
PIK3CB P42338 2/20 0.52
MTOR P42345 1/20 0.52
PI4KB Q9UBF8 1/20 0.52
KDM4E B2RXH2 1/20 0.46
PIK3R1 P27986 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4111781 0.93 PIK3CA (0.66) PIK3CAPIK3CGPIK3CDPIK3CBMTOR
SCHEMBL10327749 0.91 PIK3CA (0.65) PIK3CAPIK3CGPIK3CDPIK3CBMTOR
SCHEMBL4107914 0.90 PIK3CA (0.52) PIK3CAPIK3CGPIK3CDPIK3CBMTOR
SCHEMBL10328100 0.90 PIK3CA (0.66) PIK3CAPIK3CGPIK3CDPIK3CBMTOR
SCHEMBL10328099 0.85 PIK3CA (0.65) PIK3CAPIK3CGPIK3CDPIK3CBMTOR
SCHEMBL10327896 0.84 PIK3CA (0.70) PIK3CAPIK3CGPIK3CDPIK3CBMTOR
SCHEMBL13848004 0.83 PIK3CA (0.70) PIK3CAPIK3CGPIK3CDPIK3CBMTOR
SCHEMBL10327786 0.82 PIK3CA (0.66) PIK3CAPIK3CGPIK3CDPIK3CBMTOR
SCHEMBL10327601 0.82 PIK3CA (0.65) PIK3CAPIK3CGPIK3CDPIK3CBMTOR
SCHEMBL10327854 0.82 PIK3CA (0.65) PIK3CAPIK3CGPIK3CDPIK3CBMTOR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009066084-A1 2 -MORPHOLINOPYRIMIDINES AND THEIR USE AS PI3 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-05-28 WO claimed
WO-2009066084-A1 2 -MORPHOLINOPYRIMIDINES AND THEIR USE AS PI3 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-05-28 WO disclosed